platinum(2+);3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,10-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(11),2(6),4,8-tetraene

C30H16N4OPtS2 — CID 140729790

About platinum(2+);3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,10-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(11),2(6),4,8-tetraene

platinum(2+);3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,10-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(11),2(6),4,8-tetraene (PubChem CID 140729790) has the molecular formula C30H16N4OPtS2 and a molecular weight of 707.70 g/mol. Its IUPAC name is platinum(2+);3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,10-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(11),2(6),4,8-tetraene.

Molecular Properties

• Compound Name: platinum(2+);3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,10-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(11),2(6),4,8-tetraene
• PubChem CID: 140729790
• Molecular Formula: C30H16N4OPtS2
• Molecular Weight: 707.70 g/mol
• Exact Mass: 707.04
• IUPAC Name: platinum(2+);3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,10-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(11),2(6),4,8-tetraene
• SMILES: [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1-n1ncc2sc3cscc3c21
• InChI: InChI=1S/C30H16N4OS2.Pt/c1-2-9-25-22(8-1)23-12-11-21(15-26(23)33(25)29-10-3-4-13-31-29)35-20-7-5-6-19(14-20)34-30-24-17-36-18-28(24)37-27(30)16-32-34;/h1-13,16-18H;/q-2;+2
• InChIKey: YWFZPZRKGHOOAL-UHFFFAOYSA-N
• XLogP: 8.18
• TPSA: 44.87 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	707.70
LogP ≤ 5	8.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of platinum(2+);3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,10-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(11),2(6),4,8-tetraene?

The IUPAC name of platinum(2+);3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,10-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(11),2(6),4,8-tetraene (CID 140729790) is platinum(2+);3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,10-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(11),2(6),4,8-tetraene.

What is the SMILES notation for platinum(2+);3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,10-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(11),2(6),4,8-tetraene?

The canonical SMILES for platinum(2+);3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,10-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(11),2(6),4,8-tetraene is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1-n1ncc2sc3cscc3c21.

What is the InChIKey of platinum(2+);3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,10-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(11),2(6),4,8-tetraene?

The InChIKey is YWFZPZRKGHOOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16N4OS2.Pt/c1-2-9-25-22(8-1)23-12-11-21(15-26(23)33(25)29-10-3-4-13-31-29)35-20-7-5-6-19(14-20)34-30-24-17-36-18-28(24)37-27(30)16-32-34;/h1-13,16-18H;/q-2;+2.

What are the key properties of platinum(2+);3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,10-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(11),2(6),4,8-tetraene?

platinum(2+);3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,10-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(11),2(6),4,8-tetraene has a molecular weight of 707.70 g/mol, XLogP of 8.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(2+);3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,10-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(11),2(6),4,8-tetraene is sourced from PubChem (CID 140729790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).